(2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN4O3S/c21-14-6-8-15(9-7-14)25-19(16-5-4-12-29-16)22-18(23-25)20(27)28-13-17(26)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2